3-(4-fluorophenyl)-2-hexoxypyrrolidine

C16H24FNO — CID 174777456

IUPAC3-(4-fluorophenyl)-2-hexoxypyrrolidine
SMILESCCCCCCOC1NCCC1c1ccc(F)cc1
InChIInChI=1S/C16H24FNO/c1-2-3-4-5-12-19-16-15(10-11-18-16)13-6-8-14(17)9-7-13/h6-9,15-16,18H,2-5,10-12H2,1H3
InChIKeyQHDQLLZRPJMDDK-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.83
Rot. Bonds7

About 3-(4-fluorophenyl)-2-hexoxypyrrolidine

3-(4-fluorophenyl)-2-hexoxypyrrolidine (PubChem CID 174777456) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-hexoxypyrrolidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-hexoxypyrrolidine
PubChem CID174777456
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name3-(4-fluorophenyl)-2-hexoxypyrrolidine
SMILESCCCCCCOC1NCCC1c1ccc(F)cc1
InChIInChI=1S/C16H24FNO/c1-2-3-4-5-12-19-16-15(10-11-18-16)13-6-8-14(17)9-7-13/h6-9,15-16,18H,2-5,10-12H2,1H3
InChIKeyQHDQLLZRPJMDDK-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-hexoxypyrrolidine?
The IUPAC name of 3-(4-fluorophenyl)-2-hexoxypyrrolidine (CID 174777456) is 3-(4-fluorophenyl)-2-hexoxypyrrolidine.
What is the SMILES notation for 3-(4-fluorophenyl)-2-hexoxypyrrolidine?
The canonical SMILES for 3-(4-fluorophenyl)-2-hexoxypyrrolidine is CCCCCCOC1NCCC1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-hexoxypyrrolidine?
The InChIKey is QHDQLLZRPJMDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-2-3-4-5-12-19-16-15(10-11-18-16)13-6-8-14(17)9-7-13/h6-9,15-16,18H,2-5,10-12H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-hexoxypyrrolidine?
3-(4-fluorophenyl)-2-hexoxypyrrolidine has a molecular weight of 265.37 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-hexoxypyrrolidine is sourced from PubChem (CID 174777456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).